Chemical : Ethyl 5-aminoimidazo[1,2-a]pyridine-2-carboxylate
Casrn : 1000017-97-9 |
MolName : Ethyl 5-aminoimidazo[1,2-a]pyridine-2-carboxylate |
MolecularFormula : C10H11N3O2 |
Smiles : CCOC(c1cn2c(N)cccc2n1)=O |
InChI : InChI=1S/C10H11N3O2/c1-2-15-10(14)7-6-13-8(11)4-3-5-9(13)12-7/h3-6H,2,11H2,1H3 |
InChIK : SDHJUHBOHSJBEH-UHFFFAOYSA-N |
CanonicalSyTyLFy : 1c4ec94aeeb63f83 |
TotalMolweight : 205.216 |
Molweight : 205.216 |
MonoisotopicMass : 205.085127 |
CLogP : 0.6495 |
CLogS : -3.963 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 159.56 |
Relative PSA : 0.35867 |
PolarSurfaceArea : 69.62 |
Druglikeness : -1.3937 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.6 |
Molecula Flexibility : 0.24979 |
Molecular Complexity : 0.75973 |
Fragments : 1 |
Non HAtoms : 15 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 3 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 9 |
Sp3Atoms : 3 |
Aromatic Nitrogens : 2 |
BasicNitrogens : 1 |
StereoCon : |
CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
---|---|---|---|---|---|---|
100-23-2 | none | high | none | C8H10N2O2 | 166.179 | -5.0759 |
1000339-29-6 | none | none | none | C14H15N2OBr | 307.19 | -5.8756 |
1000-22-2 | low | high | low | C6H14O2FPS | 200.213 | -11.052 |
10002-30-9 | none | none | none | C12H9NOS | 215.275 | 0.083087 |
100-44-7 | high | high | none | C7H7Cl | 126.586 | -2.365 |
1000-56-2 | none | none | none | C3H7O4S.Na | 139.151 | -6.9141 |
1000284-53-6 | none | none | high | C18H36O2 | 284.482 | -15.583 |
100012-67-7 | high | high | high | C12H12O5 | 236.222 | -19.846 |
100005-44-5 | high | none | low | C7H5O2ClS | 188.634 | -11.771 |
1000120-98-8 | high | none | high | C230H305N67O122P19S19 | 7158.06 | -20.81 |
1000160-75-7 | none | none | low | C14H17O2BS | 260.164 | -20.35 |
100-93-6 | high | high | high | C19H18N2O2S | 338.43 | -12.848 |
100031-92-3 | none | none | high | C10H30OSi4 | 278.691 | -53.619 |
1000-86-8 | none | none | none | C7H12 | 96.1723 | -10.397 |
1000-23-3 | high | high | low | C4H6O4Cl2Sn | 307.704 | -8.6766 |
1000018-23-4 | none | none | none | C12H17N3O3 | 251.285 | 2.8124 |
100-74-3 | high | none | high | C6H13NO | 115.175 | 3.7593 |
1000068-25-6 | none | none | none | C13H15NO4BF | 279.074 | -46.077 |
100013-07-8 | none | none | none | C18H32B.Li | 259.263 | -11.013 |
100-92-5 | none | none | none | C11H17N | 163.263 | 1.1672 |
1000289-40-6 | none | none | none | C7H4N2Br2S | 307.997 | -2.2608 |
100-64-1 | high | high | none | C6H11NO | 113.159 | -6.4182 |
100028-43-1 | none | none | none | Br.C21H35N2 | 315.523 | -2.5218 |
1000058-38-7 | none | none | none | C11H12N2O2 | 204.228 | -4.6529 |
1000-05-1 | none | none | high | C8H26O3Si4 | 282.635 | -83.299 |
100031-88-7 | none | none | high | C10H30O3Si4 | 310.689 | -53.619 |
100-83-4 | high | none | low | C7H6O2 | 122.123 | -4.1407 |
1000304-40-4 | none | none | none | C11H17NO | 179.262 | 2.2651 |
1000-43-7 | high | high | high | C8H18Cl2Si | 213.223 | -31.848 |
10003-94-8 | none | none | none | C9H16N2O18P4 | 564.118 | -31.509 |
100007-57-6 | none | none | none | C72H113N19O24S6 | 1821.19 | -13.821 |
100016-73-7 | high | high | high | C6H5OCl.C10H16O.CH2O | 152.236 | -3.7075 |
10001-51-1 | none | none | none | C9H18N2O | 170.255 | 5.9677 |
1000339-26-3 | none | none | none | C14H7N2OBrCl2 | 370.033 | -0.59356 |
100002-29-7 | none | none | none | C12H18N2O3 | 238.286 | 2.8956 |
100-91-4 | none | none | high | C17H25NO3 | 291.39 | 3.3475 |
100-48-1 | none | none | none | C6H4N2 | 104.112 | -6.0498 |
1000010-11-6 | none | none | none | C28H44N2O2 | 440.669 | -21.689 |
1000018-51-8 | none | none | none | C10H10N2O2S2 | 254.333 | 1.3137 |
100-12-9 | none | none | none | C8H9NO2 | 151.164 | -7.7443 |
1000198-80-0 | none | none | none | C11H14NF | 179.237 | -0.04876 |
100-54-9 | none | none | none | C6H4N2 | 104.112 | -6.0498 |
017257-81-7 | none | none | none | C6H10O2 | 114.143 | 0.9106 |
100-21-0 | high | none | high | C8H6O4 | 166.132 | -1.8442 |
1000068-24-5 | none | none | low | C13H15NO4BCl | 295.529 | -44.638 |
1000339-55-8 | none | none | none | C9H7O2F3 | 204.147 | -12.197 |
1000339-34-3 | none | none | none | C11H12N3OBr | 282.14 | -5.9074 |
1000269-67-9 | none | none | none | C13H22N4 | 234.346 | 0.99367 |
1000269-51-1 | none | none | none | C13H12NO4B | 257.052 | -12.285 |
10-35-5 | none | none | none | C4H6O2BrF | 184.992 | -23.473 |
100-05-0 | none | none | none | Cl.C6H4N3O2 | 150.117 | -9.1371 |
100-63-0 | high | high | none | C6H8N2 | 108.144 | -4.3224 |
100020-34-6 | none | none | none | C13H18S2 | 238.418 | -0.23079 |
100-46-9 | none | none | none | C7H9N | 107.155 | -2.0712 |
100010-21-7 | none | none | none | C14H21NO | 219.327 | -4.2999 |
100008-90-0 | none | none | none | C12H11N3O3 | 245.237 | -1.9187 |
100019-64-5 | none | none | none | C9H10N2O7FP | 308.157 | -34.083 |
100-90-3 | none | none | none | C14H16N4O3S | 320.372 | 4.7301 |
100-19-6 | none | none | none | C8H7NO3 | 165.148 | -7.0365 |
100005-12-7 | none | none | low | C11H10NCl | 191.66 | 2.2675 |